2-[2-(4-chloroanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(4-chloroanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(4-chloroanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0164 |
| Compound Name: | 2-[2-(4-chloroanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 306.75 |
| Molecular Formula: | C15 H15 Cl N2 O3 |
| Smiles: | Cc1cn(C)c(CC(Nc2ccc(cc2)[Cl])=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4989 |
| logD: | 0.6997 |
| logSw: | -3.1289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.091 |
| InChI Key: | XKGVTSBYRWDODF-UHFFFAOYSA-N |